Structure of PDB 4x2t Chain J Binding Site BS01

Receptor Information
>4x2t Chain J (length=511) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNN
PGKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNS
VAVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNL
FRFFLETLFYEYMTDERFKSEYIKHLGVYINNADTYKEEVEKARVYYFGT
YYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGAY
LSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPGS
MIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNSYRP
GDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLTGAM
LYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLNSKY
ADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKPKGF
GVRLLTEFVLN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4x2t Chain J Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4x2t X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Resolution2.729 Å
Binding residue
(original residue number in PDB)		D379 D459 E461
Binding residue
(residue number reindexed from 1)		D288 D368 E370
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K386 R463
Catalytic site (residue number reindexed from 1) K295 R372
Enzyme Commision number 3.4.11.1: leucyl aminopeptidase.
3.4.13.-
Gene Ontology
Molecular Function
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019538 protein metabolic process
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:4x2t, PDBe:4x2t, PDBj:4x2t
PDBsum4x2t
PubMed25645579
UniProtQ8IL11|AMPL_PLAF7 Leucine aminopeptidase (Gene Name=LAP)

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